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| IUPAC Name: | tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate |
| Description: | N-Boc-4,7,10-Trioxa-1,13-tridecanediamine (CAS# 194920-62-2) is used as a reactant in the synthesis of gallium-labeled PET imaging agents for CXCR4 for potential cancer diagnosis. |
| Molecular Weight: | 320.42 |
| Molecular Formula: | C15H32N2O5 |
| Canonical SMILES: | CC(C)(C)OC(=O)NCCCOCCOCCOCCCN |
| InChI: | InChI=1S/C15H32N2O5/c1-15(2,3)22-14(18)17-7-5-9-20-11-13-21-12-10-19-8-4-6-16/h4-13,16H2,1-3H3,(H,17,18) |
| InChI Key: | WHHYAYNALHPDGJ-UHFFFAOYSA-N |
| Density: | 1.035 g/mL at 20 ℃ |
| Storage: | 4°C, protect from light; In solvent, -80°C, 6 months; -20°C, 1 month (protect from light) |
| MDL: | MFCD04973133 |
| LogP: | 2.39100 |
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